2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole

C18H23N3O2 — CID 72853834

IUPAC2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole
SMILESc1ccc(COC2CCCN(c3nnc(C4CCC4)o3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyUHIYAYRVGPAUNP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole

2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole (PubChem CID 72853834) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole
PubChem CID72853834
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole
SMILESc1ccc(COC2CCCN(c3nnc(C4CCC4)o3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyUHIYAYRVGPAUNP-UHFFFAOYSA-N
XLogP3.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
4-(5-Benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
CID 136568259
4-(5-Benzyl-1,3,4-oxadiazol-2-yl)morpholine
CID 135015280
2-(4-Fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-YL)morpholine
CID 72847711
2-Cyclopropyl-5-{3-[(2-fluorobenzyl)oxy]azetidin-1-yl}-1,3,4-oxadiazole
CID 72921626
(2R)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188854
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188855
4-(5-Methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 126803663
2-(2,4-Difluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126804384
2-(4-Fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 126827008
2-(2-Fluorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 132357452
4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethyl-6-[3-(trifluoromethyl)phenyl]morpholine
CID 137865088

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole (CID 72853834) is 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole is c1ccc(COC2CCCN(c3nnc(C4CCC4)o3)C2)cc1.
What is the InChIKey of 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole?
The InChIKey is UHIYAYRVGPAUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(3-phenylmethoxypiperidin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 72853834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).